KEGG   DRUG: EdivoxetineHelp
Entry
D09890                      Drug                                   

Name
Edivoxetine (USAN/INN)
Formula
C18H26FNO4
Exact mass
339.1846
Mol weight
339.4017
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01310
Efficacy
Antidepressant, Selective noradrenaline reuptake inhibitor (NRI)
Comment
Treatment of depression and attention deficit disorder
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D09890  Edivoxetine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1194508-25-2
PubChem: 135626640
ChEMBL: CHEMBL2103857
LigandBox: D09890
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    20.8600  -20.7900
            2   C8x C    20.8600  -19.3900
            3   C8y C    22.0500  -18.6900
            4   C8y C    23.3100  -19.3900
            5   C8x C    23.3100  -20.7900
            6   C8y C    22.0500  -21.4900
            7   C1b C    24.5000  -18.6900
            8   C1d C    25.6900  -19.3900
            9   C1y C    25.6900  -20.7900
            10  C1x C    24.5000  -21.4900
            11  C1x C    26.9500  -21.4900
            12  C1x C    26.9500  -22.8900
            13  O2x O    25.6900  -23.5900
            14  C1x C    24.5000  -22.8900
            15  O2a O    22.0500  -17.2900
            16  X   F    22.0500  -22.8900
            17  C1a C    23.3100  -16.5900
            18  C1y C    26.9500  -18.6900
            19  O2x O    26.9500  -17.2900
            20  C1x C    28.1400  -16.5900
            21  C1x C    29.3300  -17.2900
            22  N1x N    29.3300  -18.6900
            23  C1x C    28.1400  -19.3900
            24  O1a O    26.9500  -20.0900
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16    3  15 1
            17    6  16 1
            18   15  17 1
            19    8  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26    8  24 1 #Up

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